octaaluminum;zirconium(2+);octachloride;icosahydroxide

H20Al8Cl8O20Zr-2 — CID 139596113

IUPACoctaaluminum;zirconium(2+);octachloride;icosahydroxide
SMILES[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+2]
InChIInChI=1S/8Al.8ClH.20H2O.Zr/h;;;;;;;;8*1H;20*1H2;/q8*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2/p-28
InChIKeyMRFCJUZTBDTUMT-UHFFFAOYSA-A
MW930.84 g/mol
LogP-30.55
Rot. Bonds

About octaaluminum;zirconium(2+);octachloride;icosahydroxide

octaaluminum;zirconium(2+);octachloride;icosahydroxide (PubChem CID 139596113) has the molecular formula H20Al8Cl8O20Zr-2 and a molecular weight of 930.84 g/mol. Its IUPAC name is octaaluminum;zirconium(2+);octachloride;icosahydroxide.

Molecular Properties

Compound Nameoctaaluminum;zirconium(2+);octachloride;icosahydroxide
PubChem CID139596113
Molecular FormulaH20Al8Cl8O20Zr-2
Molecular Weight930.84 g/mol
Exact Mass925.56
IUPAC Nameoctaaluminum;zirconium(2+);octachloride;icosahydroxide
SMILES[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+2]
InChIInChI=1S/8Al.8ClH.20H2O.Zr/h;;;;;;;;8*1H;20*1H2;/q8*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2/p-28
InChIKeyMRFCJUZTBDTUMT-UHFFFAOYSA-A
XLogP-30.55
TPSA600.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.84
LogP ≤ 5-30.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Frequently Asked Questions

What is the IUPAC name of octaaluminum;zirconium(2+);octachloride;icosahydroxide?
The IUPAC name of octaaluminum;zirconium(2+);octachloride;icosahydroxide (CID 139596113) is octaaluminum;zirconium(2+);octachloride;icosahydroxide.
What is the SMILES notation for octaaluminum;zirconium(2+);octachloride;icosahydroxide?
The canonical SMILES for octaaluminum;zirconium(2+);octachloride;icosahydroxide is [Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+2].
What is the InChIKey of octaaluminum;zirconium(2+);octachloride;icosahydroxide?
The InChIKey is MRFCJUZTBDTUMT-UHFFFAOYSA-A. The full InChI is InChI=1S/8Al.8ClH.20H2O.Zr/h;;;;;;;;8*1H;20*1H2;/q8*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2/p-28.
What are the key properties of octaaluminum;zirconium(2+);octachloride;icosahydroxide?
octaaluminum;zirconium(2+);octachloride;icosahydroxide has a molecular weight of 930.84 g/mol, XLogP of -30.55, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for octaaluminum;zirconium(2+);octachloride;icosahydroxide is sourced from PubChem (CID 139596113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).